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112096-74-9 | 3,11-Dithia-15-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene
CAS No: 112096-74-9 Catalog No: AG007CEP MDL No:
Product Description
Catalog Number:
AG007CEP
Chemical Name:
3,11-Dithia-15-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene
CAS Number:
112096-74-9
Molecular Formula:
C14H21NS2
Molecular Weight:
267.4532
IUPAC Name:
3,11-dithia-15-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene
InChI:
InChI=1S/C14H21NS2/c1-2-4-6-16-11-13-8-14(10-15-9-13)12-17-7-5-3-1/h8-10H,1-7,11-12H2
InChI Key:
DPAUJGPUIJIECJ-UHFFFAOYSA-N
SMILES:
C1CCCCCCSCc2cc(CS1)cnc2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.449g/mol
Monoisotopic Mass:
267.112g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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